2,5,5-trimethylhexan-2-yl hypoiodite

C9H19IO — CID 130279659

IUPAC2,5,5-trimethylhexan-2-yl hypoiodite
SMILESCC(C)(C)CCC(C)(C)OI
InChIInChI=1S/C9H19IO/c1-8(2,3)6-7-9(4,5)11-10/h6-7H2,1-5H3
InChIKeyDENABCDRSMXEKA-UHFFFAOYSA-N
MW270.15 g/mol
LogP3.96
Rot. Bonds3

About 2,5,5-trimethylhexan-2-yl hypoiodite

2,5,5-trimethylhexan-2-yl hypoiodite (PubChem CID 130279659) has the molecular formula C9H19IO and a molecular weight of 270.15 g/mol. Its IUPAC name is 2,5,5-trimethylhexan-2-yl hypoiodite.

Molecular Properties

Compound Name2,5,5-trimethylhexan-2-yl hypoiodite
PubChem CID130279659
Molecular FormulaC9H19IO
Molecular Weight270.15 g/mol
Exact Mass270.05
IUPAC Name2,5,5-trimethylhexan-2-yl hypoiodite
SMILESCC(C)(C)CCC(C)(C)OI
InChIInChI=1S/C9H19IO/c1-8(2,3)6-7-9(4,5)11-10/h6-7H2,1-5H3
InChIKeyDENABCDRSMXEKA-UHFFFAOYSA-N
XLogP3.96
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.15
LogP ≤ 53.96
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'iodine', 'substructure': 'N/A'}

Analyze 2,5,5-trimethylhexan-2-yl hypoiodite with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2,2,5-trimethyl-5-(3-methylbutoxy)hexane
CID 123343377
2,5-dimethoxy-2,5-dimethylhexane
CID 552009
2,5,5-trimethylhexan-2-yl 2-methylprop-2-enoate
CID 88557517
3,3-dimethoxy-2,2,6,6-tetramethylheptane
CID 139690879
1-[2-[2-[2-[2-[2-[2-[2-[2-(3,3-dimethylbutoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]-3,3-dimethylbutane
CID 153439578
1,3-bis(3,3-dimethylbutoxy)benzene
CID 69310955
ethane;1-methoxy-3,3-dimethylbutane
CID 143141249
3,3-dimethyl-1-[(2-methylpropan-2-yl)oxy]butane
CID 546092
2,2-dimethylpropane;2-methyl-2-methylbutane;2,2,5,5-tetramethylhexane
CID 157119351
3,3-dimethyl-1-sulfanyloxybutane
CID 140639628
2-(3,3-dimethylbutoxy)-2-methylpropan-1-ol
CID 123870350
barium(2+);hydride;2,2,6,6-tetramethylheptane
CID 173027218

Frequently Asked Questions

What is the IUPAC name of 2,5,5-trimethylhexan-2-yl hypoiodite?
The IUPAC name of 2,5,5-trimethylhexan-2-yl hypoiodite (CID 130279659) is 2,5,5-trimethylhexan-2-yl hypoiodite.
What is the SMILES notation for 2,5,5-trimethylhexan-2-yl hypoiodite?
The canonical SMILES for 2,5,5-trimethylhexan-2-yl hypoiodite is CC(C)(C)CCC(C)(C)OI.
What is the InChIKey of 2,5,5-trimethylhexan-2-yl hypoiodite?
The InChIKey is DENABCDRSMXEKA-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H19IO/c1-8(2,3)6-7-9(4,5)11-10/h6-7H2,1-5H3.
What are the key properties of 2,5,5-trimethylhexan-2-yl hypoiodite?
2,5,5-trimethylhexan-2-yl hypoiodite has a molecular weight of 270.15 g/mol, XLogP of 3.96, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2,5,5-trimethylhexan-2-yl hypoiodite is sourced from PubChem (CID 130279659), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).